SCHEMBL9864576

SCHEMBL9864576

C[C@H](NC(CC(=O)c1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.43
SYK P43405 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CTSK P43235 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10735346 0.87 KMT2A (0.48) KMT2ATDP1MAPTSLC6A2SLC6A3
SCHEMBL7097431 0.86 KMT2A (0.53) POLBKMT2ATDP1NPSR1SLC6A2
SCHEMBL28547510 0.86 KMT2A (0.53) POLBKMT2ATDP1NPSR1SLC6A2
SCHEMBL8622468 0.86 KMT2A (0.53) POLBKMT2ATDP1NPSR1SLC6A2
SCHEMBL14182572 0.84 KMT2A (0.48) KMT2APPARGPPARATDP1MAPT
Trifluoroacetic Acid SCHEMBL9864408 0.83 KMT2A (0.42) POLBKMT2ATDP1MAPTNPSR1
SCHEMBL7328548 0.81 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSK
SCHEMBL10447913 0.81 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSK
SCHEMBL7328544 0.81 ITGA4 (0.53) POLBTDP1MAPTNPSR1CTSK
SCHEMBL2140333 0.77 POLB (0.53) POLBSYKMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061722-A Hypotensive agents; e.g. ramipril HOECHST AG (DE) 1991-10-29 US disclosed
US-5053519-A Hypotensive agents; diuretics; vasodilation HOECHST AG (DE) 1991-10-01 US disclosed
US-4879403-A AMINATION, CRYSTALLIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4727160-A HYPOTENSIVE INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed